1-(1,3-benzodioxol-5-ylmethylamino)-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(3-nitrophenoxy)propan-2-ol Openeye Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(3-nitrophenoxy)propan-2-ol CAS Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(3-nitrophenoxy)-2-propanol IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylamino)-3-(3-nitrophenoxy)propan-2-ol Traditional Name: 1-(3-nitrophenoxy)-3-(piperonylamino)propan-2-ol Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC(COC3=CC=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H18N2O6/c20-14(10-23-15-3-1-2-13(7-15)19(21)22)9-18-8-12-4-5-16-17(6-12)25-11-24-16/h1-7,14,18,20H,8-11H2